Cas no 875477-12-6 ((Ethyl-d5)triphenylphosphonium Bromide)
(Ethyl-d5)triphenylphosphonium Bromide Chemical and Physical Properties
Names and Identifiers
-
- (Ethyl-d5)triphenylphosphonium Bromide
- 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium,bromide
- Ethyl-d5-triphenylphosphonium Bromide
- TEP-d5
- Triphenylethyl-d5-phosphonium Bromide
- (~2~H_5_)Ethyl(triphenyl)phosphanium bromide
- SCHEMBL2407591
- DTXSID90747775
- 875477-12-6
- 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium;bromide
-
- Inchi: 1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1/i1D3,2D2;
- InChI Key: JHYNXXDQQHTCHJ-LUIAAVAXSA-M
- SMILES: [Br-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 370.04900
- Monoisotopic Mass: 375.07998g/mol
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 247
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 13.59000
- LogP: 1.00440
(Ethyl-d5)triphenylphosphonium Bromide Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
(Ethyl-d5)triphenylphosphonium Bromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E931952-25mg |
(Ethyl-d5)triphenylphosphonium Bromide |
875477-12-6 | 25mg |
$ 150.00 | 2023-09-07 | ||
| TRC | E931952-250mg |
(Ethyl-d5)triphenylphosphonium Bromide |
875477-12-6 | 250mg |
$ 1160.00 | 2023-09-07 | ||
| A2B Chem LLC | AH88507-25mg |
(Ethyl-d5)triphenylphosphonium Bromide |
875477-12-6 | 25mg |
$266.00 | 2024-04-19 | ||
| A2B Chem LLC | AH88507-250mg |
(Ethyl-d5)triphenylphosphonium Bromide |
875477-12-6 | 250mg |
$1247.00 | 2024-04-19 |
(Ethyl-d5)triphenylphosphonium Bromide Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
Additional information on (Ethyl-d5)triphenylphosphonium Bromide
Introduction to (Ethyl-d5)triphenylphosphonium Bromide (CAS No. 875477-12-6)
(Ethyl-d5)triphenylphosphonium Bromide) is a specialized chemical compound characterized by its unique isotopic labeling and structural properties. This compound, identified by the CAS number 875477-12-6, has garnered significant attention in the field of pharmaceutical research and chemical synthesis due to its versatile applications. The presence of deuterium atoms in the ethyl group enhances its utility in various analytical and synthetic methodologies, making it a valuable tool for researchers aiming to achieve high precision in their experiments.
The compound belongs to the class of phosphonium salts, which are known for their stability and reactivity in organic transformations. The triphenylphosphonium moiety contributes to the overall stability of the molecule, while the deuterated ethyl group provides a means for tracking reactions and intermediates in metabolic studies. This combination makes (Ethyl-d5)triphenylphosphonium Bromide an ideal candidate for use in drug metabolism studies, where the ability to differentiate between deuterated and non-deuterated compounds is crucial.
In recent years, the demand for isotopically labeled compounds has surged due to their importance in understanding biological processes at a molecular level. The use of deuterium-labeled compounds allows researchers to study reaction mechanisms and metabolic pathways with greater accuracy. For instance, (Ethyl-d5)triphenylphosphonium Bromide has been employed in the investigation of enzymatic reactions, where its stable isotope helps in elucidating the kinetic parameters of these reactions without interference from non-labeled analogs.
One of the most compelling applications of (Ethyl-d5)triphenylphosphonium Bromide is in the field of nuclear magnetic resonance (NMR) spectroscopy. The deuterated ethyl group serves as an internal standard, enabling researchers to quantify reaction progress and monitor changes in molecular structure during synthesis. This capability is particularly valuable in complex reaction mixtures where traditional NMR techniques may struggle to provide clear resolution.
The compound's utility extends beyond spectroscopic applications. It has been utilized in the synthesis of complex organic molecules, where its phosphonium core acts as a stable intermediate. The bromide counterion further enhances its reactivity, allowing for facile functionalization under various conditions. This makes (Ethyl-d5)triphenylphosphonium Bromide a versatile building block in organic synthesis, particularly for constructing heterocyclic compounds and other pharmacologically relevant molecules.
Recent advancements in drug discovery have highlighted the importance of isotopically labeled compounds in preclinical studies. (Ethyl-d5)triphenylphosphonium Bromide has been incorporated into various high-throughput screening assays to identify potential drug candidates with improved selectivity and efficacy. Its stable isotope properties ensure that researchers can monitor drug interactions without concerns about radioactive decay, thereby streamlining the drug development process.
The compound's role in metabolic studies has also been underscored by recent research findings. Studies have demonstrated that deuterium-labeled phosphonium salts can provide insights into drug absorption, distribution, metabolism, and excretion (ADME) profiles. This information is critical for optimizing drug formulations and predicting clinical outcomes. (Ethyl-d5)triphenylphosphonium Bromide has been used to track the metabolic fate of drugs in vitro and in vivo, contributing to a better understanding of their pharmacokinetic behavior.
In conclusion, (Ethyl-d5)triphenylphosphonium Bromide (CAS No. 875477-12-6) is a multifaceted compound with significant applications in pharmaceutical research and chemical synthesis. Its unique isotopic labeling and structural properties make it an invaluable tool for studying biological processes, developing new drugs, and optimizing synthetic methodologies. As research continues to evolve, the importance of such specialized compounds is expected to grow, further solidifying their role in advancing scientific knowledge and innovation.
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